N'-(3-amino-2-methylpropyl)-N-propylbutanediamide

C11H23N3O2 — CID 119998426

IUPACN'-(3-amino-2-methylpropyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCC(C)CN
InChIInChI=1S/C11H23N3O2/c1-3-6-13-10(15)4-5-11(16)14-8-9(2)7-12/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyYCAKYQYAVWDPDM-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds8

About N'-(3-amino-2-methylpropyl)-N-propylbutanediamide

N'-(3-amino-2-methylpropyl)-N-propylbutanediamide (PubChem CID 119998426) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-(3-amino-2-methylpropyl)-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(3-amino-2-methylpropyl)-N-propylbutanediamide
PubChem CID119998426
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-(3-amino-2-methylpropyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCC(C)CN
InChIInChI=1S/C11H23N3O2/c1-3-6-13-10(15)4-5-11(16)14-8-9(2)7-12/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyYCAKYQYAVWDPDM-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
CID 119584251
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide;hydrochloride
CID 119584250
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
(4R)-4-amino-N-propylpentanamide
CID 146234117
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
CID 119997509
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
N'-[2-(methylamino)propyl]-N-propylpentanediamide
CID 120829372

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-2-methylpropyl)-N-propylbutanediamide?
The IUPAC name of N'-(3-amino-2-methylpropyl)-N-propylbutanediamide (CID 119998426) is N'-(3-amino-2-methylpropyl)-N-propylbutanediamide.
What is the SMILES notation for N'-(3-amino-2-methylpropyl)-N-propylbutanediamide?
The canonical SMILES for N'-(3-amino-2-methylpropyl)-N-propylbutanediamide is CCCNC(=O)CCC(=O)NCC(C)CN.
What is the InChIKey of N'-(3-amino-2-methylpropyl)-N-propylbutanediamide?
The InChIKey is YCAKYQYAVWDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-6-13-10(15)4-5-11(16)14-8-9(2)7-12/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-(3-amino-2-methylpropyl)-N-propylbutanediamide?
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-2-methylpropyl)-N-propylbutanediamide is sourced from PubChem (CID 119998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).